⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8991763 | 0.93 | — | — | |
| SCHEMBL10024863 | 0.82 | FDPS (0.32) | — | |
| SCHEMBL9261259 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL25547166 | 0.82 | TSHR (0.32) | — | |
| SCHEMBL9207630 | 0.82 | ALDH1A1 (0.30) | — | |
| SCHEMBL28995684 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL10935422 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL14150218 | 0.78 | TSHR (0.39) | — | |
| SCHEMBL27993248 | 0.76 | FDPS (0.33) | — | |
| SCHEMBL20901929 | 0.76 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5466710-A | Heterobicycloalkanes as pesticidal compounds | ROUSSEL UCLAF (FR) | 1995-11-14 | — | — | US | disclosed |
| EP-0622370-A2 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1994-11-02 | — | — | EP | disclosed |
| EP-0563104-A1 | PESTICIDAL COMPOUNDS | ROUSSEL UCLAF (FR) | 1993-10-06 | — | — | EP | disclosed |
| WO-1992011253-A1 | PESTICIDAL COMPOUNDS | ROUSSEL UCLAF (FR) | 1992-07-09 | — | — | WO | disclosed |
| US-5116862-A | Acetylenic trithiabicyclo(2.2.2)octanes | THE WELLCOME FOUNDATION LIMITED (GB) | 1992-05-26 | — | — | US | disclosed |
| US-5026874-A | Agricultural insecticides | WELLCOME FOUNDATION LIMITED (GB) | 1991-06-25 | — | — | US | disclosed |
| EP-0300797-A1 | Pesticidal compounds | ROUSSEL UCLAF (FR) | 1989-01-25 | — | — | EP | disclosed |